CCL: Benzene Dimer Conformation

Dear Eliac,

You should note that sandwich conformation is a saddle between two displaced structures. Accurate geometries of t-shape, displaced, and sandwich dimers can be obtained from Minnesota Noncovalent Interactions Database created by Prof. Donald Truhlar's group:Âhttp://comp.chem.umn.edu/database_noncov/noncovalent.htm

Best regards,
Marcin Modrzejewski

On Thu, Dec 30, 2010 at 1:56 AM, Eliac Brown Eliacbrown*|*yahoo.com <owner-chemistry[-]ccl.net> wrote:

Sent to CCL by: "Eliac ÂBrown" [Eliacbrown%%yahoo.com]
Dear All
I tried couple of times to optimize the various conformations of benzene-
benzene dimer (T-shape, displaced and sandwich), without any achievement. All
of them went to the displaced conformations. I used MP2/6-311+G** level of
optimization.
So, I was wondering if you have the optimized structures of these conformations
where I may start my calculation at. I would appreciate your help.
Thanks
Happy New Year to all
Eliac



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